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[ CAS No. 29964-62-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 29964-62-3
Chemical Structure| 29964-62-3
Structure of 29964-62-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 29964-62-3 ]

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Product Details of [ 29964-62-3 ]

CAS No. :29964-62-3 MDL No. :MFCD02093437
Formula : C28H28Cl2P2Pd Boiling Point : No data available
Linear Structure Formula :- InChI Key :JQXJBXVWVPVTOO-UHFFFAOYSA-L
M.W : 603.80 Pubchem ID :10974057
Synonyms :

Calculated chemistry of [ 29964-62-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 33
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.14
Num. rotatable bonds : 9
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 149.08
TPSA : 27.18 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 8.19
Log Po/w (WLOGP) : 7.41
Log Po/w (MLOGP) : 7.47
Log Po/w (SILICOS-IT) : 8.94
Consensus Log Po/w : 6.4

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.69
Solubility : 0.00000124 mg/ml ; 0.000000002 mol/l
Class : Poorly soluble
Log S (Ali) : -8.62
Solubility : 0.00000145 mg/ml ; 0.0000000024 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -11.69
Solubility : 0.0000000012 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.62

Safety of [ 29964-62-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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